| Compound | 23-Hydroxy-3-beta-[(O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl)oxy]lup-20(29)-en-oic acid |
| NPACT-Id | NPACT00080 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Saponin |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | Yes |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | XMWPSJDDVBLPGK-FXWVIHCISA-N |
| InChi | 1S/C64H104O31/c1-23(2)26-11-16-64(59(83)95-57-46(79)41(74)45(78)56(94-57)93-55-47(80)42(75)49(29(20-66)88-55)92-53-43(76)39(72)35(68)24(3)86-53)18-17-62(7)27(34(26)64)9-10-32-60(5)14-13-33(61(6,22-67)31(60)12-15-63(32,62)8)90-58-51(91-50-36(69)25(4)85-52( |
| SMILES | C1C[C@@H]([C@@]([C@H]2[C@]1([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@H]1[C@@H](CC[C@@]1(CC2)C(=O)O)C(=C)C)C)C)C)(C)O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O)C)O)O)O |
|
SMART | [#6][C@H]1O[C@@H](O)[C@H](O)C(O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]2CC[C@@]3([#6])[C@@H](CC[C@]4([#6])[C@@H]3CC[C@@H]3[C@H]5[C@@H](CC[C@@]5(CC[C@@]43[#6])C(O)=O)C([#6])=C)[C@]2([#6])O)[C@H]1O |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | NA, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |